Geometry & MOs

Info

ID:	156212
PubChem CID:	56369576
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	3.11
IP(EA), eV:	-8.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCCNC(=O)NCC2=C(N=CC=C2)OC3CCCC3

DOS

IR

Vibrations